SCHEMBL15031304

SCHEMBL15031304

CCC(O)C[N+](C)(C)NC(=O)c1ccc(C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.44
▸ GAA P10253 2/20 0.44
▸ HDAC6 Q9UBN7 2/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ HPGD P15428 3/20 0.43
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ NPC1 O15118 4/20 0.41
▸ RAB9A P51151 3/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.40
▸ MAPT P10636 3/20 0.39
▸ USP2 O75604 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ ADRB2 P07550 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15031306 0.88 ALDH1A1 (0.47) ALDH1A1GAAHDAC1HPGDMEN1
SCHEMBL15031307 0.84 CA1 (0.50) ALDH1A1GAAHDAC6HDAC1HPGD
SCHEMBL10195595 0.74 LMNA (0.53) ALDH1A1GAAHDAC6HDAC1HPGD
SCHEMBL24386514 0.74 LMNA (0.53) ALDH1A1GAAHDAC6HDAC1HPGD
SCHEMBL13115502 0.73 ALDH1A1 (0.36) ALDH1A1GAAHDAC6HDAC1HPGD
SCHEMBL21078060 0.68 HTT (0.71) ALDH1A1GAAHDAC6HDAC1HPGD
4-Methylbenzoic Acid SCHEMBL14715179 0.67 ALDH1A1 (0.63) ALDH1A1GAAMEN1KMT2ASMN1; SMN2
SCHEMBL24175853 0.67 ALDH1A1 (0.68) ALDH1A1GAAHDAC6HDAC1HPGD
SCHEMBL4682969 0.66 HPGD (0.70) ALDH1A1GAAHDAC6HDAC1HPGD
SCHEMBL4151490 0.65 LMNA (0.63) ALDH1A1GAAHDAC6HDAC1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8466238-B2 Latent curing agents, epoxy resin compositions containing the same, sealing materials, and organic EL displays MITSUI CHEMICALS, INC. (JP) 2013-06-18 — — US disclosed
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